2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid

C11H12N4O2 — CID 43617238

IUPAC2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid
SMILESCCc1nnnn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12N4O2/c1-2-10-12-13-14-15(10)9-5-3-8(4-6-9)7-11(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyJVZOOHUPYFGRFI-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid

2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid (PubChem CID 43617238) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid
PubChem CID43617238
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid
SMILESCCc1nnnn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12N4O2/c1-2-10-12-13-14-15(10)9-5-3-8(4-6-9)7-11(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyJVZOOHUPYFGRFI-UHFFFAOYSA-N
XLogP0.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid
CID 55034253
(E)-3-[4-(5-ethyltetrazol-1-yl)phenyl]prop-2-enoic acid
CID 113290745
3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295412
4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
CID 107209131
2-[4-[4-(aminomethyl)-5-methyltriazol-1-yl]phenyl]acetic acid
CID 82195554
ethyl 4-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82227969
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid
CID 62947580
5-ethyl-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652420
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
CID 82289553
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid (CID 43617238) is 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid is CCc1nnnn1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid?
The InChIKey is JVZOOHUPYFGRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-10-12-13-14-15(10)9-5-3-8(4-6-9)7-11(16)17/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid?
2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 43617238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).